Geometry & MOs

Info

ID:

440461

PubChem CID:

135230438

Reduced:

FS3N12H23C30 (1)

Stoich.:

AB3C12D23E30 (1)

Weight, g/mol:

614.266439

ΔHf, kcal/mol:

260.39

Dipole, Da:

9.92

IP(EA), eV:

 -8.88(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-[(4-acetylmorpholin-2-yl)methoxy]-4-methyl-2-phenylpyrazol-3-yl]-3-[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]urea

Drug info:

PubChemData

Smile

CN1C=CN=C1N2C3=C(C=CC(=C3)C4=CN=C(S4)CSC5=NC6=C(N5C7=NN=NN7C)C=C(C=C6)F)N=C2SCC8=CC=CC=N8

DOS

IR

Vibrations